[2-(dimethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-bromophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (2S)-2-[(4-bromobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-bromobenzoyl)amino]-3-methyl-butyric acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C16H21BrN2O4 MolecularWeight: 385.25294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)N(C)C)NC(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)N(C)C)NC(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C16H21BrN2O4/c1-10(2)14(16(22)23-9-13(20)19(3)4)18-15(21)11-5-7-12(17)8-6-11/h5-8,10,14H,9H2,1-4H3,(H,18,21)/t14-/m0/s1